9H-Purine-6-methanol, 9-(phenylmethyl)-

Base Information

• Chemical Name: 9H-Purine-6-methanol, 9-(phenylmethyl)-
• CAS No.: 629604-05-3
• Molecular Formula: C13H12N4O
• Molecular Weight: 240.264
• DSSTox Substance ID: DTXSID70458019
• Nikkaji Number: J2.094.583D
• Mol file: 629604-05-3.mol

Synonyms:(9-Benzyl-9H-purin-6-yl)methanol;629604-05-3;9H-Purine-6-methanol, 9-(phenylmethyl)-;9-Benzyl-9H-purine-6-methanol;DTXSID70458019

Chemical Property of 9H-Purine-6-methanol, 9-(phenylmethyl)-

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.10111102
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)CO

Technology Process of 9H-Purine-6-methanol, 9-(phenylmethyl)-

There total 8 articles about 9H-Purine-6-methanol, 9-(phenylmethyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

6-(acetyloxymethyl)-9-benzylpurine (773133-82-7) → 6-(hydroxymethyl)-9-benzylpurine (629604-05-3)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 12h;

DOI:10.1021/ol049059r

Reference yield: 88.0%

6-(benzoyloxymethyl)-9-benzylpurine (773133-76-9) → 6-(hydroxymethyl)-9-benzylpurine (629604-05-3)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃;

DOI:10.1135/cccc20051669

Reference yield: 61.0%

iodomethyl acetate (13398-11-3) + 9-benzyl-6-chloro-9H-purine (1928-76-3) → 6-(acetyloxymethyl)-9-benzylpurine (773133-82-7) + 6-(hydroxymethyl)-9-benzylpurine (629604-05-3)

Guidance literature:

iodomethyl acetate; With chloro-trimethyl-silane; 1,1-Dibromoethane; zinc; In tetrahydrofuran; at 0 - 5 ℃; for 1h;

9-benzyl-6-chloro-9H-purine; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 8h;

DOI:10.1021/ol049059r

upstream raw materials:

formaldehyd

9-benzyl-6-iodo-9H-purine

6-(acetyloxymethyl)-9-benzylpurine

9-benzyl-6-(pivaloyloxymethyl)purine

Downstream raw materials:

9-benzyl-6-(iodomethyl)purine

9-benzyl-6-(methanesulfonyloxymethyl)purine

9-benzyl-6-formylpurine